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CAS 34347-81-4 1-Methyl-3-phenyl-1H-pyrazol-5-ol molecular structure lightbox
CAS RN: 34347-81-4

1-Methyl-3-phenyl-1H-pyrazol-5-ol

  • Product code: SSC-140692
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 34347-81-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry

34347-81-4 / 2-methyl-5-phenyl-4H-pyrazol-3-one

Standard CAS: 34347-81-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34347-81-4
Multi CAS
Yes
Molecular Formula
C10H10N2O
Molecular Weight
174.200000
Exact Mass
174.079313
InChI
InChI=1S/C10H10N2O/c1-12-10(13)7-9(11-12)8-5-3-2-4-6-8/h2-7,11H,1H3
InChIKey
INOLYMVSZFIBGA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
50.37
TPSA
32.67

LogP / Solubility

WLOGP
1.25
MLOGP
1.1
XLogP3
1.4
Consensus LogP
1.25
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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